SCHEMBL5280593

SCHEMBL5280593

O=C(c1cccc2cc[nH]c12)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 1/20 0.57
MAPK14 Q16539 4/20 0.53
SIGMAR1 Q99720 2/20 0.51
HTR2A P28223 2/20 0.51
DRD4 P21917 2/20 0.51
SLC6A2 P23975 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
KEAP1 Q14145 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5278050 0.90 HTR2A (0.63) HRH4POLBGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL27499109 0.89 HTR2A (0.62) HRH4POLBGAAMEN1KMT2A
SCHEMBL8297215 0.88 MAPK14 (0.67) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL6094784 0.86 HTR2A (0.45) HRH4POLBGAAMEN1KMT2A
SCHEMBL6605687 0.83 POLB (0.60) HRH4POLBGAAMEN1KMT2A
SCHEMBL6094762 0.82 ALDH1A1 (0.43) HRH4POLBGAAMEN1KMT2A
SCHEMBL5280958 0.81 MAPK14 (0.79) HRH4POLBGAAMEN1KMT2A
SCHEMBL5273574 0.81 MAPK14 (0.41) HRH4POLBGAAKCNH2MAPK14
SCHEMBL8291050 0.80 KEAP1 (0.54) HRH4KMT2AKEAP1ALDH1A1
SCHEMBL6098564 0.80 HTR2A (0.43) HRH4KCNH2MAPK14SIGMAR1HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US claimed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US claimed
EP-1448201-B1 N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES FOR THE TREATMENT OF OBESITY MERCK PATENT GMBH (DE) 2007-11-28 EP disclosed
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US disclosed
WO-2006034788-A1 COMBINATIONS OF N-(INDOLECARBONYL-)PIPERAZINE DERIVATIVES AND SEROTONIN REUPTAKE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
US-20060040951-A1 Use of 5-ht2 receptor antagonists for the treatment of sleep disorders MERCK PATENT GMBH (DE) 2006-02-23 US disclosed
CN-1688309-A Use of 5-HT2 receptor antagonists for the treatment of sleep disorders MERCK PATENT GMBH (DE) 2005-10-26 CN disclosed
EP-1545531-A1 USE OF 5-HT2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDERS MERCK PATENT GmbH (DE) 2005-06-29 EP disclosed
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives BOETTCHER HENNING (DE) 2005-05-05 US disclosed
US-20050014766-A1 Use of n-(indolecarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US disclosed
EP-1198453-B9 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-10 EP disclosed
EP-1448201-A2 USE OF N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2004-08-25 EP disclosed
WO-2004032932-A1 USE OF 5-HT2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDERS MERCK PATENT GMBH (DE) 2004-04-22 WO disclosed
WO-2003045392-A2 USE OF N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-06-05 WO disclosed
EP-1198453-B1 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050014766-A1 Use of n-(indolecarbonyl-)piperazine derivatives GPR119, CHRM1, HTR1A HRH4 334/4885POLB 1970/4885GAA 3243/4885
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives HTR2A, HTR2B, HTR2C HRH4 235/4885POLB 2118/4885GAA 2544/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.